#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwe s LYS 2 N 0.00 4.39 -0.14 -0.78 2.20 -1.26 -5.03 119.74 119.12 2jwe s LYS 2 Ca 0.00 1.65 0.00 0.00 -0.36 0.00 0.00 55.97 57.27 2jwe s LYS 2 Cb 0.00 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.80 2jwe s LYS 2 CO 0.00 -0.37 -0.15 0.08 -0.36 0.00 0.00 175.35 174.55 2jwe s VAL 3 N 1.90 2.83 -0.18 4.02 1.01 -1.26 -5.10 120.40 123.62 2jwe s VAL 3 Ca 0.56 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 2jwe s VAL 3 Cb -0.25 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 34.00 2jwe s VAL 3 CO 0.23 0.52 -0.05 -0.89 0.00 0.00 0.00 175.10 174.92 2jwe s THR 4 N 0.52 1.15 0.23 3.92 2.01 -1.26 -5.13 115.64 117.08 2jwe s THR 4 Ca -0.10 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.26 2jwe s THR 4 Cb -0.16 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2jwe s THR 4 CO 0.04 0.07 0.04 -0.76 -0.69 0.00 0.00 174.62 173.32 2jwe s LEU 5 N 1.61 3.36 -0.29 4.42 2.01 -1.26 -5.12 118.68 123.41 2jwe s LEU 5 Ca -0.01 -0.49 -0.02 0.00 0.01 0.00 0.00 54.13 53.62 2jwe s LEU 5 Cb -0.16 -1.92 0.10 0.00 0.01 0.00 0.00 46.19 44.22 2jwe s LEU 5 CO -0.07 0.02 0.10 -0.69 1.01 0.00 0.00 176.35 176.72 2jwe s VAL 6 N -2.10 0.48 0.24 -1.59 1.01 -1.26 -5.13 120.40 112.05 2jwe s VAL 6 Ca 0.30 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2jwe s VAL 6 Cb -0.08 -1.34 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 2jwe s VAL 6 CO 0.20 -0.65 1.13 -1.59 0.00 0.00 0.00 175.10 174.19 2jwe s LYS 7 N 1.83 4.59 0.68 2.72 -2.85 -1.26 -5.04 119.74 120.41 2jwe s LYS 7 Ca 0.08 1.82 -0.06 0.00 -1.00 0.00 0.00 55.97 56.81 2jwe s LYS 7 Cb -0.17 -3.21 0.05 0.00 -2.06 0.00 0.00 37.83 32.44 2jwe s LYS 7 CO -0.28 0.11 0.99 0.45 0.10 0.00 0.00 175.35 176.72 2jwe s SER 8 N -0.51 4.92 -1.39 0.03 0.15 -1.26 -4.97 113.70 110.67 2jwe s SER 8 Ca 0.47 0.45 -0.12 0.00 0.70 0.00 0.00 55.95 57.45 2jwe s SER 8 Cb -0.32 -1.15 0.09 0.00 -1.71 0.00 0.00 66.02 62.93 2jwe s SER 8 CO 0.39 -1.52 2.10 0.54 1.20 0.00 0.00 173.24 175.96 2jwe n ARG 9 N -2.85 3.18 -1.57 5.44 5.12 -1.26 -4.73 116.66 119.99 2jwe n ARG 9 Ca 0.08 -2.96 0.00 0.00 -1.93 0.00 0.00 57.85 53.03 2jwe n ARG 9 Cb 0.60 -3.13 0.00 0.00 -1.16 0.00 0.00 32.46 28.77 2jwe n ARG 9 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2jwe n LYS 10 N 5.15 0.00 -1.33 5.56 2.85 -1.26 -5.03 118.16 124.09 2jwe n LYS 10 Ca 0.48 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.36 2jwe n LYS 10 Cb 0.38 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.73 2jwe n LYS 10 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2jwe n ASN 11 N -0.23 5.72 -3.30 -5.58 4.13 -1.26 -4.64 115.26 110.09 2jwe n ASN 11 Ca 0.00 -2.63 -0.20 0.00 1.68 0.00 0.00 54.58 53.43 2jwe n ASN 11 Cb 0.00 -1.46 -0.08 0.00 -1.54 0.00 0.00 39.78 36.70 2jwe n ASN 11 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2jwe s GLU 12 N 3.08 0.77 0.80 3.52 2.56 -1.26 -5.14 118.70 123.03 2jwe s GLU 12 Ca 0.56 -1.38 -0.04 0.00 0.00 0.00 0.00 54.97 54.11 2jwe s GLU 12 Cb 0.15 -0.94 0.16 0.00 2.00 0.00 0.00 34.13 35.50 2jwe s GLU 12 CO -0.04 -1.28 1.10 -1.21 -0.56 0.00 0.00 175.26 173.26 2jwe s GLU 13 N 0.84 1.30 0.38 4.30 0.41 -1.26 -4.01 118.70 120.65 2jwe s GLU 13 Ca 0.24 -1.02 0.13 0.00 -0.41 0.00 0.00 54.97 53.91 2jwe s GLU 13 Cb -0.08 -2.20 0.75 0.00 -1.78 0.00 0.00 34.13 30.81 2jwe s GLU 13 CO -0.08 -1.78 1.85 1.88 -0.49 0.00 0.00 175.26 176.64 2jwe h TYR 14 N -0.86 0.01 -5.85 1.61 0.05 -2.01 -3.47 116.97 106.44 2jwe h TYR 14 Ca -0.37 -0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.03 2jwe h TYR 14 Cb 1.25 -0.00 0.12 0.00 1.01 0.00 0.00 36.73 39.11 2jwe h TYR 14 CO -0.53 0.35 -0.77 0.41 -1.05 0.00 0.00 178.16 176.58 2jwe n GLY 15 N -0.53 -0.39 3.21 3.88 0.00 -1.26 -5.00 105.19 105.10 2jwe n GLY 15 Ca -0.02 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2jwe n GLY 15 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jwe s LEU 16 N -6.69 2.46 -0.08 0.99 0.05 -1.26 -5.09 118.68 109.05 2jwe s LEU 16 Ca 0.16 -0.53 -0.30 0.00 0.05 0.00 0.00 54.13 53.51 2jwe s LEU 16 Cb -0.07 -1.59 -0.03 0.00 -2.05 0.00 0.00 46.19 42.44 2jwe s LEU 16 CO 0.76 0.00 1.35 -0.13 -0.55 0.00 0.00 176.35 177.78 2jwe s ARG 17 N 1.31 4.26 -0.11 1.48 0.52 -1.26 -5.02 118.95 120.14 2jwe s ARG 17 Ca 0.04 1.83 -0.05 0.00 -0.52 0.00 0.00 55.73 57.02 2jwe s ARG 17 Cb -0.14 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 2jwe s ARG 17 CO -0.08 -0.64 0.10 -1.17 0.02 0.00 0.00 175.30 173.53 2jwe s LEU 18 N 3.03 4.14 0.25 2.53 1.98 -1.26 -5.10 118.68 124.25 2jwe s LEU 18 Ca 0.60 0.37 -0.06 0.00 -2.89 0.00 0.00 54.13 52.15 2jwe s LEU 18 Cb -0.27 -2.00 -0.02 0.00 0.66 0.00 0.00 46.19 44.57 2jwe s LEU 18 CO 0.22 0.40 0.35 0.00 -1.89 0.00 0.00 176.35 175.42 2jwe s ALA 19 N -0.99 0.56 0.03 5.97 0.00 -1.26 -5.12 121.76 120.96 2jwe s ALA 19 Ca 0.15 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2jwe s ALA 19 Cb -0.12 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.20 2jwe s ALA 19 CO 0.04 -0.74 -0.04 -1.54 0.00 0.00 0.00 175.76 173.48 2jwe s SER 20 N -3.13 0.42 0.46 0.00 1.04 -1.26 -4.99 113.70 106.23 2jwe s SER 20 Ca 0.31 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 56.11 2jwe s SER 20 Cb 0.02 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 2jwe s SER 20 CO 0.13 -0.36 0.05 1.41 0.98 0.00 0.00 173.24 175.45 2jwe n HIS 21 N 1.17 0.79 -4.39 5.02 8.25 -1.26 -1.05 115.22 123.75 2jwe n HIS 21 Ca -0.21 -2.47 -0.19 0.00 -0.26 0.00 0.00 57.72 54.59 2jwe n HIS 21 Cb 0.57 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 31.32 2jwe n HIS 21 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2jwe s ILE 22 N -2.87 0.90 0.36 1.59 -1.09 -1.25 -4.89 121.20 113.94 2jwe s ILE 22 Ca 0.07 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.80 2jwe s ILE 22 Cb 0.00 -0.79 0.01 0.00 -1.58 0.00 0.00 42.46 40.11 2jwe s ILE 22 CO 0.05 0.12 0.51 0.72 -1.23 0.00 0.00 174.94 175.11 2jwe s PHE 23 N -0.52 1.04 -0.35 3.97 -0.71 -1.26 -0.23 117.98 119.91 2jwe s PHE 23 Ca 0.02 -1.30 -0.11 0.00 -1.04 0.00 0.00 56.93 54.50 2jwe s PHE 23 Cb -0.06 -0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.75 2jwe s PHE 23 CO 0.00 -1.20 0.21 0.08 -1.34 0.00 0.00 175.22 172.97 2jwe s VAL 24 N -2.87 4.80 0.23 -2.49 1.01 -0.77 -4.85 120.40 115.46 2jwe s VAL 24 Ca 0.30 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 2jwe s VAL 24 Cb -0.01 -3.57 0.20 0.00 0.00 0.00 0.00 36.38 33.00 2jwe s VAL 24 CO 0.21 -0.11 1.87 0.50 0.00 0.00 0.00 175.10 177.57 2jwe h LYS 25 N 8.44 0.98 -1.48 2.72 1.63 -1.92 0.11 116.57 127.05 2jwe h LYS 25 Ca -0.29 -0.06 0.34 0.00 -0.85 0.00 0.00 60.65 59.79 2jwe h LYS 25 Cb 1.13 -0.22 -0.11 0.00 -0.60 0.00 0.00 32.23 32.42 2jwe h LYS 25 CO 0.65 0.65 0.87 -1.83 -3.45 0.00 0.00 179.45 176.35 2jwe s GLU 26 N -6.09 0.33 0.00 1.90 -1.05 -1.26 -4.65 118.70 107.88 2jwe s GLU 26 Ca -0.13 -0.19 0.06 0.00 -0.15 0.00 0.00 54.97 54.56 2jwe s GLU 26 Cb 0.17 0.11 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 2jwe s GLU 26 CO 0.79 -0.15 -0.18 0.42 0.95 0.00 0.00 175.26 177.09 2jwe s ILE 27 N -2.28 1.40 0.32 1.83 1.09 -1.26 -4.98 121.20 117.32 2jwe s ILE 27 Ca 0.17 -0.86 -0.19 0.00 -1.10 0.00 0.00 60.65 58.67 2jwe s ILE 27 Cb 0.05 -1.19 -0.09 0.00 -1.06 0.00 0.00 42.46 40.16 2jwe s ILE 27 CO -0.04 0.31 0.82 -0.55 -0.10 0.00 0.00 174.94 175.38 2jwe s SER 28 N -0.63 6.98 0.44 3.58 0.15 -1.26 -5.05 113.70 117.91 2jwe s SER 28 Ca 0.06 1.50 -0.23 0.00 0.70 0.00 0.00 55.95 57.99 2jwe s SER 28 Cb -0.07 -2.46 -0.08 0.00 -1.71 0.00 0.00 66.02 61.70 2jwe s SER 28 CO -0.00 -0.15 1.08 -1.58 1.20 0.00 0.00 173.24 173.78 2jwe s GLN 29 N -2.61 3.97 -1.23 5.44 0.74 -1.26 -3.69 119.66 121.02 2jwe s GLN 29 Ca 0.52 1.55 -0.01 0.00 0.05 0.00 0.00 55.36 57.48 2jwe s GLN 29 Cb -0.13 -2.40 0.00 0.00 1.10 0.00 0.00 33.01 31.58 2jwe s GLN 29 CO 0.18 -0.32 0.96 -3.47 -0.55 0.00 0.00 175.29 172.09 2jwe n ASP 30 N -0.39 -2.15 -4.44 6.67 -0.08 -1.26 -5.02 116.55 109.89 2jwe n ASP 30 Ca 0.07 -0.65 -0.21 0.00 -1.51 0.00 0.00 54.79 52.48 2jwe n ASP 30 Cb 0.50 -4.92 -0.11 0.00 2.34 0.00 0.00 41.12 38.93 2jwe n ASP 30 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2jwe s SER 31 N -4.29 2.40 0.23 1.67 0.01 -1.24 -5.02 113.70 107.46 2jwe s SER 31 Ca 0.04 -1.35 -0.06 0.00 1.31 0.00 0.00 55.95 55.89 2jwe s SER 31 Cb -0.02 -0.09 0.34 0.00 0.21 0.00 0.00 66.02 66.46 2jwe s SER 31 CO 0.75 -0.58 1.80 -0.07 0.41 0.00 0.00 173.24 175.55 2jwe h LEU 32 N 2.14 0.58 -0.18 2.44 3.38 -1.95 0.15 115.31 121.88 2jwe h LEU 32 Ca -0.41 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2jwe h LEU 32 Cb 1.24 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2jwe h LEU 32 CO 0.69 0.34 0.11 0.00 0.09 0.00 0.00 178.44 179.67 2jwe h ALA 33 N 1.42 0.23 -0.49 1.53 0.00 -1.95 0.35 119.26 120.35 2jwe h ALA 33 Ca 0.36 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2jwe h ALA 33 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jwe h ALA 33 CO -0.24 -0.26 0.02 0.00 0.00 0.00 0.00 179.25 178.77 2jwe h ALA 34 N 1.02 1.12 -0.16 0.00 0.00 -1.66 -0.31 119.26 119.27 2jwe h ALA 34 Ca 0.06 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 2jwe h ALA 34 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2jwe h ALA 34 CO -0.01 0.57 -0.67 -0.09 0.00 0.00 0.00 179.25 179.04 2jwe h ARG 35 N 0.75 0.63 -0.06 0.00 1.12 -0.42 -3.22 114.38 113.17 2jwe h ARG 35 Ca 0.15 -0.47 -0.17 0.00 -1.11 0.00 0.00 59.98 58.38 2jwe h ARG 35 Cb 0.43 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 2jwe h ARG 35 CO 0.02 1.09 -0.70 -0.44 -3.11 0.00 0.00 179.97 176.82 2jwe h ASP 36 N 0.45 0.36 -3.20 -3.80 5.19 -0.10 -3.48 116.42 111.84 2jwe h ASP 36 Ca -0.02 -0.23 -0.17 0.00 -0.62 0.00 0.00 57.03 55.98 2jwe h ASP 36 Cb 1.26 -0.11 0.06 0.00 0.18 0.00 0.00 39.33 40.73 2jwe h ASP 36 CO 0.13 0.95 -0.31 0.61 -3.12 0.00 0.00 179.24 177.50 2jwe n GLY 37 N 0.49 0.27 0.81 2.75 0.00 -0.15 -4.95 105.19 104.41 2jwe n GLY 37 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2jwe n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jwe n ASN 38 N -0.65 0.98 -4.65 1.61 3.02 -1.24 -5.01 115.26 109.31 2jwe n ASN 38 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.11 2jwe n ASN 38 Cb 0.53 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 2jwe n ASN 38 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jwe s ILE 39 N -1.96 4.38 0.19 2.41 -1.09 -1.26 -5.03 121.20 118.84 2jwe s ILE 39 Ca 0.00 1.65 0.10 0.00 -2.23 0.00 0.00 60.65 60.17 2jwe s ILE 39 Cb 0.00 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2jwe s ILE 39 CO 0.00 -0.24 -0.17 -1.58 -1.23 0.00 0.00 174.94 171.72 2jwe s GLN 40 N 3.56 1.77 -0.27 2.79 2.00 -1.26 -4.79 119.66 123.46 2jwe s GLN 40 Ca 0.51 -1.41 -0.29 0.00 -2.00 0.00 0.00 55.36 52.17 2jwe s GLN 40 Cb -0.18 -1.99 -0.06 0.00 0.80 0.00 0.00 33.01 31.57 2jwe s GLN 40 CO 0.14 0.42 2.24 -1.91 -0.50 0.00 0.00 175.29 175.68 2jwe n GLU 41 N 0.16 1.71 0.00 1.67 2.13 -1.26 -0.53 120.64 124.51 2jwe n GLU 41 Ca -0.12 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2jwe n GLU 41 Cb 0.56 -3.11 0.00 0.00 0.27 0.00 0.00 31.44 29.16 2jwe n GLU 41 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jwe n GLY 42 N 5.95 0.83 3.58 8.31 0.00 0.03 -5.01 105.19 118.87 2jwe n GLY 42 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 2jwe n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jwe n ASP 43 N 0.00 2.81 -4.58 1.61 9.92 0.31 -4.52 116.55 122.10 2jwe n ASP 43 Ca 0.00 -0.13 -0.41 0.00 -0.53 0.00 0.00 54.79 53.72 2jwe n ASP 43 Cb 0.00 -1.57 -0.03 0.00 -0.64 0.00 0.00 41.12 38.89 2jwe n ASP 43 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2jwe s VAL 44 N 10.14 3.72 -0.10 2.53 1.01 -1.26 -1.84 120.40 134.59 2jwe s VAL 44 Ca 1.00 0.62 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 2jwe s VAL 44 Cb -0.27 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 2jwe s VAL 44 CO 0.31 -1.03 0.72 -0.69 0.00 0.00 0.00 175.10 174.41 2jwe s VAL 45 N 6.42 5.01 -0.23 2.92 1.01 0.68 -2.80 120.40 133.41 2jwe s VAL 45 Ca 0.57 1.45 0.03 0.00 0.00 0.00 0.00 61.98 64.04 2jwe s VAL 45 Cb -0.12 -4.05 -0.19 0.00 0.00 0.00 0.00 36.38 32.02 2jwe s VAL 45 CO 0.26 0.20 -0.12 -0.11 0.00 0.00 0.00 175.10 175.33 2jwe n LEU 46 N 4.18 2.59 -4.12 3.92 0.00 0.12 -3.97 117.00 119.71 2jwe n LEU 46 Ca -0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 56.01 55.79 2jwe n LEU 46 Cb 0.51 -0.76 -0.11 0.00 0.00 0.00 0.00 43.42 43.05 2jwe n LEU 46 CO 0.47 0.87 -0.41 -0.54 0.00 0.00 0.00 177.39 177.78 2jwe s LYS 47 N -2.52 0.69 -0.10 1.96 1.02 -1.16 -0.74 119.74 118.89 2jwe s LYS 47 Ca -0.30 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 54.68 2jwe s LYS 47 Cb 0.08 -0.41 0.04 0.00 -0.52 0.00 0.00 37.83 37.03 2jwe s LYS 47 CO 0.65 0.06 0.07 0.42 -0.92 0.00 0.00 175.35 175.63 2jwe s ILE 48 N -1.97 -0.03 -1.47 2.17 1.01 0.12 -0.14 121.20 120.89 2jwe s ILE 48 Ca -0.02 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 2jwe s ILE 48 Cb -0.06 -0.40 0.06 0.00 0.01 0.00 0.00 42.46 42.07 2jwe s ILE 48 CO -0.00 -0.02 0.96 0.59 0.00 0.00 0.00 174.94 176.46 2jwe n ASN 49 N 5.27 -5.34 -0.34 3.58 3.02 0.24 -1.38 115.26 120.30 2jwe n ASN 49 Ca -0.05 -0.62 -0.03 0.00 -0.03 0.00 0.00 54.58 53.84 2jwe n ASN 49 Cb 0.49 -4.26 -0.01 0.00 -0.61 0.00 0.00 39.78 35.40 2jwe n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jwe n GLY 50 N -1.72 0.40 2.94 7.41 0.00 -1.26 -5.04 105.19 107.92 2jwe n GLY 50 Ca 0.01 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 2jwe n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwe s THR 51 N -2.16 0.82 0.39 2.61 2.01 -0.48 -5.13 115.64 113.71 2jwe s THR 51 Ca 0.00 -0.27 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 2jwe s THR 51 Cb 0.00 -0.81 -0.10 0.00 0.01 0.00 0.00 72.50 71.60 2jwe s THR 51 CO 0.00 0.30 1.37 -0.69 -0.69 0.00 0.00 174.62 174.91 2jwe s VAL 52 N 0.98 2.40 -0.29 3.82 1.01 -1.26 0.11 120.40 127.16 2jwe s VAL 52 Ca -0.10 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.36 2jwe s VAL 52 Cb -0.15 -3.23 0.47 0.00 0.00 0.00 0.00 36.38 33.47 2jwe s VAL 52 CO 0.00 0.07 1.17 0.41 0.00 0.00 0.00 175.10 176.76 2jwe n THR 53 N 0.33 2.27 -4.75 3.92 -1.04 0.08 -4.85 114.28 110.24 2jwe n THR 53 Ca 0.02 -3.98 -0.33 0.00 -2.04 0.00 0.00 64.05 57.72 2jwe n THR 53 Cb 0.42 -0.66 -0.12 0.00 -1.82 0.00 0.00 70.33 68.15 2jwe n THR 53 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2jwe s GLU 54 N -3.64 2.54 -0.56 -2.82 2.12 -1.26 -4.14 118.70 110.94 2jwe s GLU 54 Ca 0.46 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 55.11 2jwe s GLU 54 Cb 0.39 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 32.35 2jwe s GLU 54 CO 0.02 0.63 0.00 0.09 -0.54 0.00 0.00 175.26 175.45 2jwe n ASN 55 N 2.14 -5.35 -4.97 -1.70 3.02 -0.21 -4.98 115.26 103.20 2jwe n ASN 55 Ca -0.17 0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.30 2jwe n ASN 55 Cb 0.52 -3.32 -0.00 0.00 -0.61 0.00 0.00 39.78 36.37 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2jwe s MET 56 N -2.20 3.16 0.33 3.52 1.75 -1.26 -4.91 119.30 119.69 2jwe s MET 56 Ca 0.00 -0.79 -0.27 0.00 -1.25 0.00 0.00 55.69 53.38 2jwe s MET 56 Cb 0.00 -2.74 -0.09 0.00 2.84 0.00 0.00 34.83 34.84 2jwe s MET 56 CO 0.00 0.00 1.12 -1.12 -0.65 0.00 0.00 175.02 174.37 2jwe s SER 57 N -4.16 6.97 0.44 1.11 0.01 -1.26 -4.92 113.70 111.88 2jwe s SER 57 Ca 0.45 2.26 0.17 0.00 1.31 0.00 0.00 55.95 60.13 2jwe s SER 57 Cb -0.10 -2.62 1.09 0.00 0.21 0.00 0.00 66.02 64.61 2jwe s SER 57 CO 0.33 -0.36 1.93 0.25 0.41 0.00 0.00 173.24 175.80 2jwe h LEU 58 N 3.25 0.35 -0.83 2.44 5.85 -1.98 0.00 115.31 124.39 2jwe h LEU 58 Ca -0.48 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 2jwe h LEU 58 Cb 1.22 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2jwe h LEU 58 CO 0.65 0.18 -0.10 0.74 -0.34 0.00 0.00 178.44 179.57 2jwe h THR 59 N 0.37 1.25 -0.86 1.05 2.02 -2.00 -2.77 112.91 111.98 2jwe h THR 59 Ca 0.36 -1.14 0.10 0.00 0.77 0.00 0.00 66.41 66.50 2jwe h THR 59 Cb 0.88 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 68.24 2jwe h THR 59 CO -0.11 0.39 0.50 -0.78 0.37 0.00 0.00 175.52 175.90 2jwe h ASP 60 N 0.70 0.73 -0.65 4.18 1.82 -1.36 0.26 116.42 122.10 2jwe h ASP 60 Ca 0.12 0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 2jwe h ASP 60 Cb 0.57 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.45 2jwe h ASP 60 CO 0.04 0.41 0.26 0.00 -1.61 0.00 0.00 179.24 178.33 2jwe h ALA 61 N 1.47 1.18 -0.24 -0.78 0.00 -1.45 -1.90 119.26 117.54 2jwe h ALA 61 Ca 0.42 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2jwe h ALA 61 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jwe h ALA 61 CO -0.25 0.59 -0.04 1.57 0.00 0.00 0.00 179.25 181.12 2jwe h LYS 62 N 0.98 0.36 -0.31 0.00 5.09 -0.82 -2.64 116.57 119.24 2jwe h LYS 62 Ca 0.23 -0.07 -0.18 0.00 0.09 0.00 0.00 60.65 60.71 2jwe h LYS 62 Cb 0.20 -0.06 -0.00 0.00 0.10 0.00 0.00 32.23 32.48 2jwe h LYS 62 CO -0.02 0.42 -0.52 1.15 -2.09 0.00 0.00 179.45 178.40 2jwe h THR 63 N 0.35 1.27 -0.92 0.07 2.02 -0.49 -3.07 112.91 112.13 2jwe h THR 63 Ca 0.08 -1.69 0.14 0.00 0.77 0.00 0.00 66.41 65.70 2jwe h THR 63 Cb 0.30 1.58 -0.07 0.00 -1.74 0.00 0.00 68.15 68.22 2jwe h THR 63 CO 0.01 0.56 0.59 -0.07 0.37 0.00 0.00 175.52 176.98 2jwe h LEU 64 N 0.69 0.73 -0.83 2.58 3.38 -1.02 0.22 115.31 121.06 2jwe h LEU 64 Ca 0.02 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2jwe h LEU 64 Cb 1.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2jwe h LEU 64 CO 0.12 0.38 -0.52 0.40 0.09 0.00 0.00 178.44 178.90 2jwe h ILE 65 N 0.78 1.36 0.01 1.22 2.04 -1.47 -1.71 117.51 119.74 2jwe h ILE 65 Ca 0.46 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 2jwe h ILE 65 Cb 0.65 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 2jwe h ILE 65 CO -0.22 0.53 -0.01 -0.33 0.00 0.00 0.00 178.15 178.12 2jwe h GLU 66 N 0.13 -0.02 0.00 2.37 5.08 -0.80 -3.26 114.58 118.08 2jwe h GLU 66 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jwe h GLU 66 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2jwe h GLU 66 CO 0.08 0.75 0.00 0.07 -1.00 0.00 0.00 179.01 178.91 2jwe h ARG 67 N -0.84 0.00 -6.08 2.33 0.11 -0.73 -3.44 114.38 105.74 2jwe h ARG 67 Ca -0.00 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.42 2jwe h ARG 67 Cb 0.78 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.85 2jwe h ARG 67 CO 0.00 0.00 1.29 0.45 0.10 0.00 0.00 179.97 181.81 2jwe n SER 68 N -2.81 2.63 -4.47 0.08 2.88 -0.64 -4.87 113.62 106.42 2jwe n SER 68 Ca -0.00 0.61 -0.44 0.00 -1.33 0.00 0.00 58.87 57.71 2jwe n SER 68 Cb 0.21 -1.31 -0.01 0.00 -0.75 0.00 0.00 64.21 62.35 2jwe n SER 68 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2jwe s LYS 69 N 5.38 3.93 3.26 -1.46 1.02 -1.26 -4.88 119.74 125.74 2jwe s LYS 69 Ca 1.03 -2.27 0.00 0.00 0.02 0.00 0.00 55.97 54.75 2jwe s LYS 69 Cb -0.78 -5.07 0.00 0.00 -0.52 0.00 0.00 37.83 31.46 2jwe s LYS 69 CO 0.50 -1.82 0.00 0.41 -0.92 0.00 0.00 175.35 173.52 2jwe n GLY 70 N 4.66 1.39 3.76 -3.33 0.00 -1.26 -4.95 105.19 105.46 2jwe n GLY 70 Ca 0.34 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 2jwe n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwe s LYS 71 N 0.00 3.39 -0.07 1.61 0.00 -1.26 -5.03 119.74 118.37 2jwe s LYS 71 Ca 0.00 2.19 0.04 0.00 0.00 0.00 0.00 55.97 58.20 2jwe s LYS 71 Cb 0.00 -2.38 -0.00 0.00 0.00 0.00 0.00 37.83 35.44 2jwe s LYS 71 CO 0.00 -0.98 -0.22 -1.17 0.00 0.00 0.00 175.35 172.98 2jwe s LEU 72 N -3.23 2.00 -0.15 2.77 0.20 -1.26 -5.00 118.68 114.00 2jwe s LEU 72 Ca 0.67 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.98 2jwe s LEU 72 Cb -0.39 -1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 44.09 2jwe s LEU 72 CO 0.47 0.16 -0.04 -0.54 -0.29 0.00 0.00 176.35 176.11 2jwe s LYS 73 N 0.20 3.59 -0.02 1.98 1.02 -1.26 -5.00 119.74 120.25 2jwe s LYS 73 Ca -0.12 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.34 2jwe s LYS 73 Cb -0.16 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.31 2jwe s LYS 73 CO 0.06 0.28 0.03 -1.64 -0.92 0.00 0.00 175.35 173.15 2jwe s MET 74 N 0.26 0.02 -0.40 1.68 -1.94 -1.26 0.82 119.30 118.49 2jwe s MET 74 Ca -0.03 0.17 -0.15 0.00 -1.71 0.00 0.00 55.69 53.97 2jwe s MET 74 Cb -0.14 -0.30 0.01 0.00 2.01 0.00 0.00 34.83 36.41 2jwe s MET 74 CO 0.03 -0.17 0.32 0.08 -0.01 0.00 0.00 175.02 175.27 2jwe s VAL 75 N 1.10 5.23 0.45 -6.03 1.01 0.80 -4.98 120.40 117.97 2jwe s VAL 75 Ca -0.09 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2jwe s VAL 75 Cb -0.13 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2jwe s VAL 75 CO -0.03 -0.27 0.20 0.68 0.00 0.00 0.00 175.10 175.69 2jwe s VAL 76 N 1.79 2.05 -0.41 2.92 -7.23 -1.26 0.14 120.40 118.40 2jwe s VAL 76 Ca 0.07 -1.69 -0.07 0.00 -1.81 0.00 0.00 61.98 58.48 2jwe s VAL 76 Cb -0.18 -2.74 0.09 0.00 0.56 0.00 0.00 36.38 34.10 2jwe s VAL 76 CO 0.11 0.00 0.23 -1.10 -0.31 0.00 0.00 175.10 174.03 2jwe s GLN 77 N -3.97 2.43 -0.27 4.82 1.11 -1.12 -4.92 119.66 117.74 2jwe s GLN 77 Ca 0.36 -1.56 0.11 0.00 0.01 0.00 0.00 55.36 54.28 2jwe s GLN 77 Cb 0.02 -3.69 0.53 0.00 -1.01 0.00 0.00 33.01 28.86 2jwe s GLN 77 CO 0.20 -0.98 1.49 -2.13 0.01 0.00 0.00 175.29 173.88 2jwe n ARG 78 N 4.81 2.23 -1.91 2.91 0.00 -1.26 -4.53 116.66 118.90 2jwe n ARG 78 Ca -0.08 -3.06 -0.07 0.00 -0.00 0.00 0.00 57.85 54.63 2jwe n ARG 78 Cb 0.42 -1.86 0.06 0.00 0.00 0.00 0.00 32.46 31.09 2jwe n ARG 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2jwe n ASP 79 N -0.93 2.74 -2.72 6.15 9.92 -1.26 -4.95 116.55 125.50 2jwe n ASP 79 Ca 0.32 -3.01 -0.20 0.00 -0.53 0.00 0.00 54.79 51.37 2jwe n ASP 79 Cb 1.04 -0.41 0.01 0.00 -0.64 0.00 0.00 41.12 41.12 2jwe n ASP 79 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jwe n GLU 80 N -0.57 -3.11 -2.88 -1.24 1.02 -1.26 -4.91 120.64 107.69 2jwe n GLU 80 Ca 0.23 0.87 -0.44 0.00 -0.02 0.00 0.00 57.16 57.80 2jwe n GLU 80 Cb 0.89 -5.61 -0.02 0.00 -0.02 0.00 0.00 31.44 26.69 2jwe n GLU 80 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jwe s LEU 81 N -6.27 4.85 0.00 -4.62 1.43 -1.26 -5.20 118.68 107.61 2jwe s LEU 81 Ca 0.15 -2.20 0.26 0.00 -1.03 0.00 0.00 54.13 51.31 2jwe s LEU 81 Cb -0.07 -2.42 0.72 0.00 0.03 0.00 0.00 46.19 44.45 2jwe s LEU 81 CO 0.18 -1.05 1.56 1.21 0.23 0.00 0.00 176.35 178.48